Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | STAT6 | P42226 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11884883 | 0.79 | TYMS (0.60) | TYMSKDRALDH1A1TSHRMAPK1 | |
| SCHEMBL9232601 | 0.77 | TYMS (0.62) | TYMSKDRALDH1A1TSHRMAPK1 | |
| SCHEMBL9233969 | 0.77 | BRD2 (0.52) | TYMSKDRALDH1A1TSHRMAPK1 | |
| SCHEMBL9229974 | 0.76 | LMNA (0.41) | CYP1A2CYP2D6ALDH1A1MAPK1LMNA | |
| SCHEMBL4271367 | 0.76 | KDR (0.54) | KDRALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL31503556 | 0.72 | TYMS (0.74) | TYMSALDH1A1TSHRMAPK1LMNA | |
| Metronidazole SCHEMBL19948918 | 0.71 | LMNA (0.83) | KDRALDH1A1TSHRMAPK1LMNA | |
| SCHEMBL9780864 | 0.71 | LMNA (0.64) | TYMSALDH1A1TSHRMAPK1LMNA | |
| SCHEMBL5837665 | 0.71 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1TSHRMAPK1 | |
| SCHEMBL29419595 | 0.70 | CYP1A2 (0.73) | CYP1A2CYP2D6ALDH1A1TSHRMAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632040-A1 | Antibacterial imidazole derivatives | Takeda Chemical Industries, Ltd. (JP) | 1995-01-04 | — | — | EP | disclosed |